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Bromine in PDB 5ndz: Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution

Enzymatic activity of Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution

All present enzymatic activity of Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution, PDB code: 5ndz was solved by R.K.Y.Cheng, C.Fiez-Vandal, O.Schlenker, K.Edman, B.Aggeler, D.G.Brown, G.Brown, R.M.Cooke, C.E.Dumelin, A.S.Dore, S.Geschwindner, C.Grebner, N.-O.Hermansson, A.Jazayeri, P.Johansson, L.Leong, R.Prihandoko, M.Rappas, H.Soutter, A.Snijder, L.Sundstrom, B.Tehan, P.Thornton, D.Troast, G.Wiggin, A.Zhukov, F.H.Marshall, N.Dekker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.44 / 3.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 37.099, 62.599, 86.467, 104.38, 91.66, 96.40
R / Rfree (%) 24.4 / 29.1

Other elements in 5ndz:

The structure of Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution also contains other interesting chemical elements:

Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution (pdb code 5ndz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution, PDB code: 5ndz:

Bromine binding site 1 out of 1 in 5ndz

Go back to Bromine Binding Sites List in 5ndz
Bromine binding site 1 out of 1 in the Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of A Thermostabilised Human Protease-Activated Receptor-2 (PAR2) in Complex with AZ3451 at 3.6 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2201

b:91.7
occ:1.00
 BR1 A:8UN2201 0.0 91.7 1.0
C22 A:8UN2201 1.9 60.9 1.0
C21 A:8UN2201 2.9 60.2 1.0
C8 A:8UN2201 2.9 52.6 1.0
O A:TRP199 3.0 40.4 1.0
C7 A:8UN2201 3.2 48.7 1.0
N A:LEU203 3.4 36.7 1.0
CB A:LEU203 3.6 32.5 1.0
CA A:LEU203 3.7 33.0 1.0
N2 A:8UN2201 3.7 49.4 1.0
N1 A:8UN2201 3.8 48.2 1.0
CE3 A:TRP199 3.9 50.2 1.0
C10 A:8UN2201 4.0 48.5 1.0
C A:TRP199 4.0 33.8 1.0
C A:ILE202 4.1 36.0 1.0
C9 A:8UN2201 4.1 43.5 1.0
C20 A:8UN2201 4.2 51.1 1.0
C18 A:8UN2201 4.2 51.2 1.0
CB A:ILE202 4.3 27.5 1.0
CG2 A:ILE202 4.3 33.4 1.0
CZ3 A:TRP199 4.5 49.7 1.0
CA A:TRP199 4.5 28.5 1.0
C3 A:8UN2201 4.5 56.6 1.0
C4 A:8UN2201 4.5 48.6 1.0
CD1 A:LEU203 4.6 40.1 1.0
CG A:LEU203 4.7 34.1 1.0
CA A:ILE202 4.7 33.8 1.0
C19 A:8UN2201 4.7 48.5 1.0
O A:ILE202 4.7 38.2 1.0
CD2 A:TRP199 5.0 48.4 1.0

Reference:

R.K.Y.Cheng, C.Fiez-Vandal, O.Schlenker, K.Edman, B.Aggeler, D.G.Brown, G.A.Brown, R.M.Cooke, C.E.Dumelin, A.S.Dore, S.Geschwindner, C.Grebner, N.O.Hermansson, A.Jazayeri, P.Johansson, L.Leong, R.Prihandoko, M.Rappas, H.Soutter, A.Snijder, L.Sundstrom, B.Tehan, P.Thornton, D.Troast, G.Wiggin, A.Zhukov, F.H.Marshall, N.Dekker. Structural Insight Into Allosteric Modulation of Protease-Activated Receptor 2. Nature V. 545 112 2017.
ISSN: ESSN 1476-4687
PubMed: 28445455
DOI: 10.1038/NATURE22309
Page generated: Thu Jul 11 00:27:50 2024

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